N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

C165H105N3 — CID 161427467

IUPACN-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc(-c3cccc4c5ccccc5c5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/3C55H35N/c1-2-15-38(16-3-1)56(39-32-29-36(30-33-39)37-31-34-44-42-19-5-4-17-40(42)41-18-6-7-20-43(41)48(44)35-37)53-28-14-27-52-54(53)47-23-10-13-26-51(47)55(52)49-24-11-8-21-45(49)46-22-9-12-25-50(46)55;1-2-15-37(16-3-1)56(38-31-29-36(30-32-38)40-24-14-25-49-43-18-5-4-17-41(43)42-19-6-7-23-48(42)54(40)49)39-33-34-47-46-22-10-13-28-52(46)55(53(47)35-39)50-26-11-8-20-44(50)45-21-9-12-27-51(45)55;1-2-14-38(15-3-1)56(39-29-26-36(27-30-39)37-28-32-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)49(45)34-37)40-31-33-54-50(35-40)48-22-10-13-25-53(48)55(54)51-23-11-8-20-46(51)47-21-9-12-24-52(47)55/h3*1-35H
InChIKeyVXODOXASWDTZPK-UHFFFAOYSA-N
MW2129.68 g/mol
LogP43.88
Rot. Bonds12

About N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine

N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 161427467) has the molecular formula C165H105N3 and a molecular weight of 2129.68 g/mol. Its IUPAC name is N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID161427467
Molecular FormulaC165H105N3
Molecular Weight2129.68 g/mol
Exact Mass2127.83
IUPAC NameN-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc(-c3cccc4c5ccccc5c5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/3C55H35N/c1-2-15-38(16-3-1)56(39-32-29-36(30-33-39)37-31-34-44-42-19-5-4-17-40(42)41-18-6-7-20-43(41)48(44)35-37)53-28-14-27-52-54(53)47-23-10-13-26-51(47)55(52)49-24-11-8-21-45(49)46-22-9-12-25-50(46)55;1-2-15-37(16-3-1)56(38-31-29-36(30-32-38)40-24-14-25-49-43-18-5-4-17-41(43)42-19-6-7-23-48(42)54(40)49)39-33-34-47-46-22-10-13-28-52(46)55(53(47)35-39)50-26-11-8-20-44(50)45-21-9-12-27-51(45)55;1-2-14-38(15-3-1)56(39-29-26-36(27-30-39)37-28-32-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)49(45)34-37)40-31-33-54-50(35-40)48-22-10-13-25-53(48)55(54)51-23-11-8-20-46(51)47-21-9-12-24-52(47)55/h3*1-35H
InChIKeyVXODOXASWDTZPK-UHFFFAOYSA-N
XLogP43.88
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002129.68
LogP ≤ 543.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine
CID 130311297
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134567998
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
CID 158813700
CID 158813700
N-[4-(3,5-diphenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308524
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 161396411
N-(4-trimethylsilylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-amine;N-(4-trimethylsilylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 160575058
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
N-(4-phenanthren-2-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-(4-triphenylen-2-ylphenyl)spiro[fluorene-9,9'-thioxanthene]-3-amine
CID 158578435

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine (CID 161427467) is N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc(-c3cccc4c5ccccc5c5ccccc5c34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is VXODOXASWDTZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H35N/c1-2-15-38(16-3-1)56(39-32-29-36(30-33-39)37-31-34-44-42-19-5-4-17-40(42)41-18-6-7-20-43(41)48(44)35-37)53-28-14-27-52-54(53)47-23-10-13-26-51(47)55(52)49-24-11-8-21-45(49)46-22-9-12-25-50(46)55;1-2-15-37(16-3-1)56(38-31-29-36(30-32-38)40-24-14-25-49-43-18-5-4-17-41(43)42-19-6-7-23-48(42)54(40)49)39-33-34-47-46-22-10-13-28-52(46)55(53(47)35-39)50-26-11-8-20-44(50)45-21-9-12-27-51(45)55;1-2-14-38(15-3-1)56(39-29-26-36(27-30-39)37-28-32-45-43-18-5-4-16-41(43)42-17-6-7-19-44(42)49(45)34-37)40-31-33-54-50(35-40)48-22-10-13-25-53(48)55(54)51-23-11-8-20-46(51)47-21-9-12-24-52(47)55/h3*1-35H.
What are the key properties of N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine?
N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 2129.68 g/mol, XLogP of 43.88, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-triphenylen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 161427467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).